相关论文: Possible charge ordered states in BN and BCN nanot…

Electronic states in nanographite ribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The electronic states with the opposite electric charges separated along both edges are…

Electronic states in nanographite ribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The nearest Coulomb interactions stabilize electronic states with the opposite electric…

Effects of the nearest neighbor Coulomb interaction on nanographene ribbons with zigzag edges are investigated using the extended Hubbard model within the unrestricted Hartree-Fock approximation. The nearest Coulomb interaction stabilizes a…

In a nanographene ring with zigzag edges, the spin-polarized state and the charge-polarized state are stabilized by the on-site and the nearest neighbor Coulomb repulsions, U and V, respectively, within the extended Hubbard model under the…

We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…

We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…

The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of…

A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized…

First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…

We study here polaron (soliton) states of electrons or holes in a model describing carbon-type nanotubes. In the Hamiltonian of the system we take into account the electron-phonon interaction that arises from the deformation dependencies of…

The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most…

We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge…

We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. We find two different charge-ordered ground states as the strength of the longer range interactions is…

We consider a semiconducting carbon nanotube (CNT) laying on a ferromagnetic insulating sub-strate with one end depassing the substrate and suspended over a metallic gate. We assume that the polarised substrate induces an exchange…

We study the ground state phase diagram of the extended Hubbard model in a half-filled 5/7 skewed ladder, which is topologically equivalent to a \{112\} grain boundary in graphene and related systems. Using the mean-field method, we…

We study the effects of the electrostatic interaction produced by charged fullerenes encapsulated in carbon nanotubes, showing that they are able to modify locally the electronic density of states in the hybrid system. In the cases where…

The phase Hamiltonian of armchair carbon nanotubes at half-filling and away from it is derived from the microscopic lattice model by taking the long range Coulomb interaction into account. We investigate the low energy properties of the…

Correlated states emerge in low-dimensional systems owing to enhanced Coulomb interactions. Elucidating these states requires atomic scale characterization and delicate control capabilities. In this study, spectroscopic imaging-scanning…

We study numerically self-trapped (polaron) states of quasiparticles (electrons, holes or excitons) in a deformable nanotube formed by a hexagonal lattice, wrapped into a cylinder (carbon- and boron nitride-type nanotube structures). We…

The spin-polarized electronic structure and half-metallicity of zigzag graphene nanoribbons (ZGNRs) with asymmetric edge terminations are investigated by using first principles calculations. It is found that compared with symmetric…